Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1002884 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2D6LMNAL3MBTL1HTT | |
| SCHEMBL1079978 | 0.84 | CYP2C8 (0.35) | TSHRCYP2C9 | |
| SCHEMBL1079982 | 0.84 | CYP2C8 (0.35) | TSHRCYP2C9 | |
| SCHEMBL997427 | 0.82 | TP53 (0.39) | LMNAHPGDMAPTKMT2ARAB9A | |
| SCHEMBL997429 | 0.82 | TP53 (0.39) | LMNAHPGDMAPTKMT2ARAB9A | |
| SCHEMBL1003867 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2D6LMNAL3MBTL1HTT | |
| SCHEMBL1079190 | 0.80 | HTR7 (0.39) | CYP1A2CYP2D6LMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL1079194 | 0.80 | HTR7 (0.39) | CYP1A2CYP2D6LMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL999196 | 0.79 | SLC6A4 (0.43) | SMN1; SMN2ALDH1A1KDM4EPOLB | |
| SCHEMBL999194 | 0.79 | SLC6A4 (0.43) | SMN1; SMN2ALDH1A1KDM4EPOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456436-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | Theravance, Inc. (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011231-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-27 | — | — | WO | disclosed |